Geometry & MOs

Info

ID:	81853
PubChem CID:	49855257
Reduced:	F2N2O3H16C21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	380.09277
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	3.56
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)O)O)NC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations